Data quality metrics extracted from 2rkn.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.


Experimental information for 2RKN at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
  The method used in the experiment.
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
  SINGLE WAVELENGTH, LAUE, or MAD.
Source type
_diffrn_source.source
SYNCHROTRON
  The general class of the radiation source.
Source details
_diffrn_source.type
ESRF BEAMLINE ID14-1
  The make, model or name of the source of radiation.
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
  Synchrotron site.
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID14-1
  Synchrotron beamline.
Temperature [K]
_diffrn.ambient_temp
100
  The mean temperature in kelvins at which the intensities were
  measured.
Detector technology
_diffrn_detector.detector
CCD
  The general class of the radiation detector.
Collection date
_diffrn_detector.pdbx_collection_date
2006-11-17
  The date of data collection.
Detector
_diffrn_detector.type
ADSC QUANTUM 210
  The make, model or name of the detector device used.
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9330
  Comma separated list of wavelengths or wavelength range.
Software
Data collection
_software.classification
MxCuBE
  The classification of the program according to its
  major function.
Data reduction
_software.classification
MOSFLM (A.G.W. Leslie; andrew@mrc-lmb.cam.ac.uk)
  The classification of the program according to its
  major function.
Data scaling
_software.classification
SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
  The classification of the program according to its
  major function.
Phasing #1
_software.classification
SHARP (de La Fortelle; sharp-develop@globalphasing.com)
  The classification of the program according to its
  major function.
Phasing #2
_software.classification
SOLOMON (Abrahams J. P.; ccp4@dl.ac.uk)
  The classification of the program according to its
  major function.
Refinement
_software.classification
REFMAC (refmac_5.2.0019; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk)
  The classification of the program according to its
  major function.
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
  Hermann-Mauguin space-group symbol. Note that the
  Hermann-Mauguin symbol does not necessarily contain complete
  information about the symmetry and the space-group origin. If
  used, always supply the FULL symbol from International Tables
  for Crystallography Vol. A (2002) and indicate the origin and
  the setting if it is not implicit. If there is any doubt that
  the equivalent positions can be uniquely deduced from this
  symbol, specify the _symmetry_equiv.pos_as_xyz or
  _symmetry.space_group_name_Hall data items as well. Leave
  spaces between symbols referring to
  different axes.
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
28.655
  Unit-cell length a corresponding to the structure reported in
  angstroms.
48.217
  Unit-cell length b corresponding to the structure reported in
  angstroms.
54.406
  Unit-cell length c corresponding to the structure reported in
  angstroms.
90.0
  Unit-cell angle alpha of the reported structure in degrees.
90.0
  Unit-cell angle beta of the reported structure in degrees.
90.0
  Unit-cell angle gamma of the reported structure in degrees.
Wavelength
_diffrn_radiation_wavelength.wavelength
1.28230
  The radiation wavelength in angstroms.
1.28310
  The radiation wavelength in angstroms.
1.27700
  The radiation wavelength in angstroms.
0.93300
  The radiation wavelength in angstroms.
 Å

Refinement
PDB entry ID
_entry.id
2RKN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-10-17